Compound Detail
CHEMBL3959605
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Basic Information
| ChEMBL ID | CHEMBL3959605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBUZBTBHUCTEBZ-KUOZIZRBSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.59
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 11.0
IC50 1 meas. best 8.31
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 11.0 | 9.98 | 0.0 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.01 | nM | 11.0 | SEAP Activity Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 4... | - |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 1.1 | nM | 8.96 | cAMP Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,... | - |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 1.8 | nM | 8.74 | Radioligand Binding Assay: Assay Volume and Format:200 μl in 96-well plateCell m... | - |
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 4.9 | nM | 8.31 | Radioligand Binding Assay: Assay Volume and Format:200 μl in 96-well plateCell m... | - |
Data from ChEMBL 36 via Core Engine